Browse entries in the PDBbind-CN Database

Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 3gxt
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3s5yRCSB PDB    PDBbind398aa, >3S5Y_1|Chains... at 99%
3tv8RCSB PDB    PDBbind404aa, >3TV8_1|Chains... *
4nxsRCSB PDB    PDBbind398aa, >4NXS_1|Chains... at 99%
6ibkRCSB PDB    PDBbind398aa, >6IBK_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1oimRCSB PDB    PDBbindNOJ
2j77RCSB PDB    PDBbindNOJ
2jkeRCSB PDB    PDBbindNOJ
2pwdRCSB PDB    PDBbindNOJ
3gbeRCSB PDB    PDBbindNOJ
4iidRCSB PDB    PDBbindNOJ
5ieeRCSB PDB    PDBbindNOJ
5nn5RCSB PDB    PDBbindNOJ
Entry Information
PDB ID3gxt
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman alpha-galactosidase A
Ligand NameNOJ
EC.Number E.C.3.2.1.22
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)Ki=18uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2004) Bioorg. Med. Chem. Lett., Vol.14, pp.73-75
Ligand Properties
Formula C6H14NO4
Molecular Weight 164.180
Exact Mass 164.092
No. of atoms 25
No. of bonds 25
Polar Surface Area 97.53
LOGP Value -2.35      (Computed with XLOGP3)
-2.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P06280  
Entrez Gene IDNCBI Entrez Gene ID: 2717  
ASDInformation of known allosteric effects of PDB entries
 
This site has been visited times since Nov 2007.


Copyright ©2007-2025    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com